LatticeModelFactory.hpp

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#pragma once
#include <string>
#include <map>
#include <set>
#include "Lattice.hpp"
#include "SpinModel.hpp"
 
namespace LatticeModelFactory
{
    struct LatticeSite
    {
    public:
        LatticeSite();
 
        LatticeSite(const int a0, const int a1, const int a2, const int b);
 
        bool operator==(const LatticeSite& rhs) const;
 
        bool operator!=(const LatticeSite& rhs) const;
 
        int a0; 
        int a1; 
        int a2; 
        int b; 
    };
 
    struct LatticeBond
    {
    public:
        LatticeBond(const int fromB, const int toB, const int da0, const int da1, const int da2);
 
        bool isAttachedToSite(const LatticeSite& site) const;
 
        bool isConnectingSites(const LatticeSite& site1, const LatticeSite& site2) const;
 
        bool isConnectingFromTo(const LatticeSite& siteFrom, const LatticeSite& siteTo) const;
 
        std::vector<LatticeSite> getOtherEnd(const LatticeSite& site) const;
 
        int fromB; 
        int toB; 
        int da0; 
        int da1; 
        int da2; 
    };
 
    struct LatticeUnitCell
    {
    public:
        LatticeUnitCell();
 
        LatticeUnitCell(const std::string &latticeName, const std::string &bundle);
 
        std::vector<geometry::Vec3<double> > latticeVectors; 
        std::vector<geometry::Vec3<double> > basisSites; 
        std::vector<LatticeBond> latticeBonds; 
 
    private:
        bool _initFromResBundle(const std::string &latticeName, const std::string &bundle);
    };
 
    struct SpinInteraction
    {
    public:
        SpinInteraction();
 
        SpinInteraction(const LatticeSite& from, const LatticeSite& to);
 
        bool isConnectingFromTo(const LatticeSite& siteFrom, const LatticeSite& siteTo) const;
 
        int isConnectingSites(const LatticeSite& site1, const LatticeSite& site2) const;
 
        SpinInteraction& operator+=(const SpinInteraction& rhs);
 
        LatticeSite from; 
        LatticeSite to; 
        float interactionStrength[3][3]; 
    };
 
    struct SpinModelUnitCell
    {
    public:
        SpinModelUnitCell();
 
        SpinModelUnitCell(const std::string &modelName, const std::string &bundle, const std::map<std::string, std::string> &modelOptions);
 
        std::vector<SpinInteraction> interactions; 
        std::set<std::string> interactionParameters; 
 
    private:
        bool _initFromResBundle(const std::string &modelName, const std::string &bundle, const std::map<std::string, std::string> &modelOptions);
    };
 
    std::pair<Lattice *, SpinModel *> newLatticeModel(const LatticeUnitCell &uc, const SpinModelUnitCell &spinModelDefinition, const int latticeRange, const std::string &ldfPath = "");
};